N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide

C14H21N3O3 — CID 102374659

IUPACN-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide
SMILESCC(=O)N(Cn1cc(C)c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C14H21N3O3/c1-10-8-16(14(20)15-13(10)19)9-17(11(2)18)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,15,19,20)
InChIKeyAJXNQMAMJBJTSH-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.98
Rot. Bonds3

About N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide

N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide (PubChem CID 102374659) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide
PubChem CID102374659
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide
SMILESCC(=O)N(Cn1cc(C)c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C14H21N3O3/c1-10-8-16(14(20)15-13(10)19)9-17(11(2)18)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,15,19,20)
InChIKeyAJXNQMAMJBJTSH-UHFFFAOYSA-N
XLogP0.98
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726
[4-[cyclohexyl-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]carbamoyl]phenyl] acetate
CID 71727330
N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56884269
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
CID 20676015
(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
CID 6723546
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclohexyl]methyl benzoate
CID 14552691
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
CID 118938736
1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione
CID 11264529
2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethylsulfanyl acetate
CID 151243454
[(1R,2R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)cycloheptyl]oxymethylphosphonic acid
CID 10687989

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide?
The IUPAC name of N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide (CID 102374659) is N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide is CC(=O)N(Cn1cc(C)c(=O)[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide?
The InChIKey is AJXNQMAMJBJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-8-16(14(20)15-13(10)19)9-17(11(2)18)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,15,19,20).
What are the key properties of N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide?
N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide is sourced from PubChem (CID 102374659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).